Table 2.

X-ray Data Collection and Refinement Statistics for the ATCase C₆ Structure

Data collection
Space Group	P4332
Cell Dimensions:
	a = b = c (Å) 141.78
	α, β, γ (°) 90, 90, 90
Resolution (Å)	50.00–2.10
Rmergea (%)	0.077 (0.535)
Average (I/σ)	8.9
Completeness (%)	100.0 (100.0)
Total Reflections	1,221,103
Unique reflections	28,952
Redundancy	42.2 (43.0)
Refinement
Resolution (Å)	30.00–2.10
Reflections	28,904
Rfactor/Rfree	0.177/0.205
RMS deviations:
Bonds (Å)	0.006
Angles (°)	0.916
Mean B value (Å2)	32.0
Total number waters	222

Values in parentheses are for the highest resolution shell

^a $R_{\mathit{merge}}=\frac{{\displaystyle \sum _{\mathit{hkl}}}{\displaystyle \sum _i}\mid I_i(\mathit{hkl})-\langle I(\mathit{hkl})\rangle \mid }{{\displaystyle \sum _{\mathit{hkl}}}{\displaystyle \sum _i}{I}_{\mathit{hkl}}}$